5-amino-3-bromo-1-[(2-bromo-5-methoxyphenyl)methyl]-4-methylpyridin-2-one

C14H14Br2N2O2 — CID 104505773

IUPAC5-amino-3-bromo-1-[(2-bromo-5-methoxyphenyl)methyl]-4-methylpyridin-2-one
SMILESCOc1ccc(Br)c(Cn2cc(N)c(C)c(Br)c2=O)c1
InChIInChI=1S/C14H14Br2N2O2/c1-8-12(17)7-18(14(19)13(8)16)6-9-5-10(20-2)3-4-11(9)15/h3-5,7H,6,17H2,1-2H3
InChIKeyUUPYVIVGLQIRNN-UHFFFAOYSA-N
MW402.09 g/mol
LogP3.32
Rot. Bonds3

About 5-amino-3-bromo-1-[(2-bromo-5-methoxyphenyl)methyl]-4-methylpyridin-2-one

5-amino-3-bromo-1-[(2-bromo-5-methoxyphenyl)methyl]-4-methylpyridin-2-one (PubChem CID 104505773) has the molecular formula C14H14Br2N2O2 and a molecular weight of 402.09 g/mol. Its IUPAC name is 5-amino-3-bromo-1-[(2-bromo-5-methoxyphenyl)methyl]-4-methylpyridin-2-one.

Molecular Properties

Compound Name5-amino-3-bromo-1-[(2-bromo-5-methoxyphenyl)methyl]-4-methylpyridin-2-one
PubChem CID104505773
Molecular FormulaC14H14Br2N2O2
Molecular Weight402.09 g/mol
Exact Mass399.94
IUPAC Name5-amino-3-bromo-1-[(2-bromo-5-methoxyphenyl)methyl]-4-methylpyridin-2-one
SMILESCOc1ccc(Br)c(Cn2cc(N)c(C)c(Br)c2=O)c1
InChIInChI=1S/C14H14Br2N2O2/c1-8-12(17)7-18(14(19)13(8)16)6-9-5-10(20-2)3-4-11(9)15/h3-5,7H,6,17H2,1-2H3
InChIKeyUUPYVIVGLQIRNN-UHFFFAOYSA-N
XLogP3.32
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.09
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-3-[(2-bromo-5-methoxyphenyl)methyl]-1-methylpyrimidine-2,4-dione
CID 65324092
1-[(2-bromo-5-methoxyphenyl)methyl]-3-propylimidazol-2-one
CID 80582220
5-amino-3-bromo-1-[(3,5-dimethylphenyl)methyl]-4-methylpyridin-2-one
CID 104505889
5-amino-3-bromo-1-[(3,4-dimethylphenyl)methyl]-4-methylpyridin-2-one
CID 104505695
1-[(2-bromo-5-methoxyphenyl)methyl]pyrimidine-2,4-dione
CID 65327229
5-amino-3-bromo-1-[(3-chloro-4-pyridinyl)methyl]-4-methylpyridin-2-one
CID 104505852
1-[(2-bromo-5-methoxyphenyl)methyl]-4,6-dimethylpyrimidin-2-one
CID 65325926
1-[(2-bromo-5-methoxyphenyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 79180750
1-[(2-bromo-5-methoxyphenyl)methyl]-5-methylindole
CID 116622881
2-[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrol-2-yl]ethanamine
CID 66406254
1-[(2-bromo-5-methoxyphenyl)methyl]imidazolidine-2,4-dione
CID 65326183
[1-[(2-bromo-5-methoxyphenyl)methyl]triazol-4-yl]methanamine
CID 65326569

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-bromo-1-[(2-bromo-5-methoxyphenyl)methyl]-4-methylpyridin-2-one?
The IUPAC name of 5-amino-3-bromo-1-[(2-bromo-5-methoxyphenyl)methyl]-4-methylpyridin-2-one (CID 104505773) is 5-amino-3-bromo-1-[(2-bromo-5-methoxyphenyl)methyl]-4-methylpyridin-2-one.
What is the SMILES notation for 5-amino-3-bromo-1-[(2-bromo-5-methoxyphenyl)methyl]-4-methylpyridin-2-one?
The canonical SMILES for 5-amino-3-bromo-1-[(2-bromo-5-methoxyphenyl)methyl]-4-methylpyridin-2-one is COc1ccc(Br)c(Cn2cc(N)c(C)c(Br)c2=O)c1.
What is the InChIKey of 5-amino-3-bromo-1-[(2-bromo-5-methoxyphenyl)methyl]-4-methylpyridin-2-one?
The InChIKey is UUPYVIVGLQIRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Br2N2O2/c1-8-12(17)7-18(14(19)13(8)16)6-9-5-10(20-2)3-4-11(9)15/h3-5,7H,6,17H2,1-2H3.
What are the key properties of 5-amino-3-bromo-1-[(2-bromo-5-methoxyphenyl)methyl]-4-methylpyridin-2-one?
5-amino-3-bromo-1-[(2-bromo-5-methoxyphenyl)methyl]-4-methylpyridin-2-one has a molecular weight of 402.09 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-bromo-1-[(2-bromo-5-methoxyphenyl)methyl]-4-methylpyridin-2-one is sourced from PubChem (CID 104505773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).